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Fluorine in PDB 3w2n: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185, PDB code: 3w2n was solved by D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Shiba, K.Sakamoto, S.Suzuki, E.O.Balogun, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.06 / 1.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.123, 71.886, 128.940, 90.00, 90.00, 90.00
R / Rfree (%) 14.6 / 19.4

Other elements in 3w2n:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 also contains other interesting chemical elements:

Cobalt (Co) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 (pdb code 3w2n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185, PDB code: 3w2n:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3w2n

Go back to Fluorine Binding Sites List in 3w2n
Fluorine binding site 1 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:12.4
occ:1.00
 FAF A:ROD401 0.0 12.4 1.0
CAW A:ROD401 1.3 13.7 1.0
FAE A:ROD401 2.2 14.0 1.0
FAG A:ROD401 2.2 14.2 1.0
CAR A:ROD401 2.3 12.1 1.0
CAQ A:ROD401 2.9 11.6 1.0
OAD A:ROD401 2.9 9.0 1.0
CAL A:ROD401 3.1 10.3 1.0
CAP A:ROD401 3.1 9.5 1.0
N A:LEU71 3.2 9.7 1.0
CAM A:ROD401 3.3 9.8 1.0
OAA A:ROD401 3.3 9.6 1.0
CA A:GLY70 3.4 9.3 1.0
CAK A:ROD401 3.4 12.6 1.0
C A:GLY70 3.5 9.7 1.0
O A:HOH675 3.5 33.0 1.0
N A:GLY70 3.7 9.5 1.0
CAS A:ROD401 3.9 8.8 1.0
CAT A:ROD401 3.9 8.9 1.0
CB A:LEU71 4.0 10.7 1.0
CA A:LEU71 4.1 10.0 1.0
CAJ A:ROD401 4.3 13.3 1.0
O A:HOH693 4.3 14.8 1.0
O A:GLY70 4.4 10.2 1.0
CAI A:ROD401 4.6 12.8 1.0
O A:HOH694 4.7 27.1 1.0
C A:MET69 4.9 9.9 1.0
CAH A:ROD401 5.0 12.9 1.0

Fluorine binding site 2 out of 6 in 3w2n

Go back to Fluorine Binding Sites List in 3w2n
Fluorine binding site 2 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:14.2
occ:1.00
 FAG A:ROD401 0.0 14.2 1.0
CAW A:ROD401 1.4 13.7 1.0
FAF A:ROD401 2.2 12.4 1.0
FAE A:ROD401 2.2 14.0 1.0
CAR A:ROD401 2.4 12.1 1.0
CAK A:ROD401 2.7 12.6 1.0
CA A:GLY70 3.6 9.3 1.0
O A:HOH693 3.6 14.8 1.0
C A:GLY70 3.7 9.7 1.0
CAQ A:ROD401 3.7 11.6 1.0
NH2 A:ARG50 4.0 15.4 1.0
O A:GLY70 4.0 10.2 1.0
CAI A:ROD401 4.0 12.8 1.0
N A:LEU71 4.1 9.7 1.0
CB A:LEU71 4.5 10.7 1.0
CAL A:ROD401 4.5 10.3 1.0
N A:GLY70 4.5 9.5 1.0
CG A:PRO131 4.6 23.1 1.0
CAJ A:ROD401 4.8 13.3 1.0
CZ A:ARG50 4.8 16.1 1.0
O A:HOH700 4.8 31.5 1.0
CAH A:ROD401 4.9 12.9 1.0
CD A:PRO131 4.9 23.1 1.0
OAD A:ROD401 5.0 9.0 1.0
CA A:LEU71 5.0 10.0 1.0

Fluorine binding site 3 out of 6 in 3w2n

Go back to Fluorine Binding Sites List in 3w2n
Fluorine binding site 3 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:14.0
occ:1.00
 FAE A:ROD401 0.0 14.0 1.0
CAW A:ROD401 1.4 13.7 1.0
FAF A:ROD401 2.2 12.4 1.0
FAG A:ROD401 2.2 14.2 1.0
CAR A:ROD401 2.4 12.1 1.0
CAQ A:ROD401 3.1 11.6 1.0
O A:HOH694 3.1 27.1 1.0
CAL A:ROD401 3.3 10.3 1.0
CAK A:ROD401 3.4 12.6 1.0
O A:HOH675 3.6 33.0 1.0
O A:HOH696 3.6 33.2 1.0
O A:HOH693 3.8 14.8 1.0
CG A:PRO131 4.3 23.1 1.0
CAM A:ROD401 4.3 9.8 1.0
CAJ A:ROD401 4.4 13.3 1.0
OAD A:ROD401 4.4 9.0 1.0
O1 A:GOL405 4.5 23.4 1.0
CD A:PRO131 4.6 23.1 1.0
CAI A:ROD401 4.7 12.8 1.0
CAP A:ROD401 4.8 9.5 1.0
CA A:GLY70 4.9 9.3 1.0
CAT A:ROD401 4.9 8.9 1.0

Fluorine binding site 4 out of 6 in 3w2n

Go back to Fluorine Binding Sites List in 3w2n
Fluorine binding site 4 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:16.0
occ:1.00
 FAF B:ROD401 0.0 16.0 1.0
CAW B:ROD401 1.3 14.8 1.0
FAE B:ROD401 2.1 15.7 1.0
FAG B:ROD401 2.1 13.4 1.0
CAR B:ROD401 2.3 13.0 1.0
CAQ B:ROD401 3.1 12.4 1.0
CAK B:ROD401 3.3 11.7 1.0
CAL B:ROD401 3.3 10.5 1.0
O B:HOH692 3.4 35.0 1.0
O B:HOH687 3.7 32.0 1.0
O B:HOH693 3.9 30.6 1.0
O B:HOH694 4.0 35.6 1.0
O B:HOH689 4.0 19.6 1.0
CAM B:ROD401 4.3 9.7 1.0
CAJ B:ROD401 4.3 11.9 1.0
CAI B:ROD401 4.5 12.4 1.0
O3 B:GOL402 4.5 24.9 1.0
OAA B:ROD401 4.5 10.6 1.0
CAP B:ROD401 4.8 11.2 1.0
CA B:GLY70 4.8 11.4 1.0
CAT B:ROD401 4.9 9.1 1.0
CAH B:ROD401 4.9 12.6 1.0

Fluorine binding site 5 out of 6 in 3w2n

Go back to Fluorine Binding Sites List in 3w2n
Fluorine binding site 5 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:13.4
occ:1.00
 FAG B:ROD401 0.0 13.4 1.0
CAW B:ROD401 1.3 14.8 1.0
FAF B:ROD401 2.1 16.0 1.0
FAE B:ROD401 2.2 15.7 1.0
CAR B:ROD401 2.3 13.0 1.0
CAQ B:ROD401 3.0 12.4 1.0
CAL B:ROD401 3.0 10.5 1.0
OAA B:ROD401 3.2 10.6 1.0
CAP B:ROD401 3.2 11.2 1.0
N B:LEU71 3.2 11.0 1.0
CAM B:ROD401 3.2 9.7 1.0
OAD B:ROD401 3.3 12.3 1.0
CA B:GLY70 3.4 11.4 1.0
CAK B:ROD401 3.4 11.7 1.0
C B:GLY70 3.4 11.2 1.0
N B:GLY70 3.7 10.5 1.0
CB B:LEU71 3.7 12.3 1.0
O B:HOH693 3.8 30.6 1.0
O B:HOH687 3.8 32.0 1.0
CAS B:ROD401 3.9 9.4 1.0
CAT B:ROD401 3.9 9.1 1.0
CA B:LEU71 4.0 11.4 1.0
CAJ B:ROD401 4.3 11.9 1.0
O B:GLY70 4.3 13.7 1.0
O B:HOH689 4.6 19.6 1.0
CAI B:ROD401 4.6 12.4 1.0
CD1 B:LEU71 4.8 13.9 1.0
CG B:LEU71 4.9 13.3 1.0
C B:MET69 4.9 10.1 1.0
CAH B:ROD401 5.0 12.6 1.0

Fluorine binding site 6 out of 6 in 3w2n

Go back to Fluorine Binding Sites List in 3w2n
Fluorine binding site 6 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:15.7
occ:1.00
 FAE B:ROD401 0.0 15.7 1.0
CAW B:ROD401 1.3 14.8 1.0
FAF B:ROD401 2.1 16.0 1.0
FAG B:ROD401 2.2 13.4 1.0
CAR B:ROD401 2.3 13.0 1.0
CAK B:ROD401 2.6 11.7 1.0
CA B:GLY70 3.6 11.4 1.0
C B:GLY70 3.7 11.2 1.0
O B:HOH689 3.7 19.6 1.0
CAQ B:ROD401 3.7 12.4 1.0
CAI B:ROD401 4.0 12.4 1.0
O B:GLY70 4.0 13.7 1.0
NH2 B:ARG50 4.1 16.1 1.0
N B:LEU71 4.1 11.0 1.0
O B:HOH693 4.3 30.6 1.0
CB B:LEU71 4.3 12.3 1.0
CAL B:ROD401 4.4 10.5 1.0
N B:GLY70 4.5 10.5 1.0
CAJ B:ROD401 4.8 11.9 1.0
CA B:LEU71 4.9 11.4 1.0
CAH B:ROD401 4.9 12.6 1.0
CZ B:ARG50 5.0 18.1 1.0

Reference:

D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Shiba, K.Sakamoto, S.Suzuki, E.O.Balogun, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita. Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-185 To Be Published.
Page generated: Wed Jul 31 23:27:32 2024

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